1,3-Dinitro-2-(4-phenylimidazol-2-ylthio)-5-(trifluoromethyl)benzene
TL;DR: 1,3-Dinitro-2-(4-phenylimidazol-2-ylthio)-5-(trifluoromethyl)benzene (CAS 346598-60-5) is a chemical compound with molecular formula C16H9F3N4O4S and molecular weight 410.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-5-phenyl-1H-imidazole
Also Known As: 1,3-dinitro-2-(4-phenylimidazol-2-ylthio)-5-(trifluoromethyl)benzene, 2-[[2,6-Dinitro-4-(trifluoromethyl)phenyl]thio]-5-phenyl-1H-imidazole, 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-4-phenyl-3H-imidazole, 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-5-phenyl-1H-imidazole, 2-{[2,6-Dinitro-4-(trifluoromethyl)phenyl]sulfanyl}-5-phenyl-1H-imidazole
| Molecular Formula | C16H9F3N4O4S |
|---|---|
| Molecular Weight | 410.03 g/mol |
| LogP | 5.0631 |
| Topological Polar Surface Area | 114.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.02966 |
| Heavy Atoms | 28 |
| Complexity | 1018.5381 |
Chemical Identifiers
| CAS Number | 346598-60-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CN=C(N2)SC3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] |
Product Overview
1,3-Dinitro-2-(4-phenylimidazol-2-ylthio)-5-(trifluoromethyl)benzene (CAS 346598-60-5), with molecular formula C16H9F3N4O4S and molecular weight 410.03 g/mol. IUPAC: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-5-phenyl-1H-imidazole.
Chemical Property Profile of 1,3-Dinitro-2-(4-phenylimidazol-2-ylthio)-5-(trifluoromethyl)benzene
Property Insights of 1,3-Dinitro-2-(4-phenylimidazol-2-ylthio)-5-(trifluoromethyl)benzene
The XLogP value of 5.0631 indicates that 1,3-Dinitro-2-(4-phenylimidazol-2-ylthio)-5-(trifluoromethyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dinitro-2-(4-phenylimidazol-2-ylthio)-5-(trifluoromethyl)benzene. Following Lipinski's Rule of Five, 1,3-Dinitro-2-(4-phenylimidazol-2-ylthio)-5-(trifluoromethyl)benzene has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Dinitro-2-(4-phenylimidazol-2-ylthio)-5-(trifluoromethyl)benzene?
The CAS number of 1,3-Dinitro-2-(4-phenylimidazol-2-ylthio)-5-(trifluoromethyl)benzene is 346598-60-5.
What is the molecular formula of 1,3-Dinitro-2-(4-phenylimidazol-2-ylthio)-5-(trifluoromethyl)benzene?
The molecular formula of 1,3-Dinitro-2-(4-phenylimidazol-2-ylthio)-5-(trifluoromethyl)benzene is C16H9F3N4O4S.
What is the molecular weight of 1,3-Dinitro-2-(4-phenylimidazol-2-ylthio)-5-(trifluoromethyl)benzene?
The molecular weight of 1,3-Dinitro-2-(4-phenylimidazol-2-ylthio)-5-(trifluoromethyl)benzene is 410.03 g/mol.
Where can I buy 1,3-Dinitro-2-(4-phenylimidazol-2-ylthio)-5-(trifluoromethyl)benzene?
You can request a quote for 1,3-Dinitro-2-(4-phenylimidazol-2-ylthio)-5-(trifluoromethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dinitro-2-(4-phenylimidazol-2-ylthio)-5-(trifluoromethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dinitro-2-(4-phenylimidazol-2-ylthio)-5-(trifluoromethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.